SCHEMBL6202828

SCHEMBL6202828

FC(F)(F)c1nc2c3c(ccc2[nH]1)OCC(CN1CC=C(c2c[nH]c4ccccc24)CC1)O3

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.65
SLC6A4 P31645 4/20 0.65
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
DRD2 P14416 5/20 0.45
HTR2A P28223 3/20 0.45
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6201096 0.94 HTR1A (0.64) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6202240 0.91 HTR1A (0.54) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL6200972 0.90 HTR1A (0.55) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6202163 0.90 HTR1A (0.53) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6202798 0.88 HTR1A (0.73) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL7038637 0.87 HTR1A (0.49) HTR1ASLC6A4KDM4EDRD2
SCHEMBL6203852 0.87 HTR1A (0.68) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5767215 0.83 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5766210 0.82 HTR1A (0.75) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628542 0.82 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401839-B9 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-11-30 EP claimed
EP-1401839-B1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-09-07 EP claimed
EP-1401839-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA A]NAPHTHALENE Wyeth (US) 2004-03-31 EP claimed
US-6573283-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-06-03 US claimed
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2002-12-05 US claimed
WO-2002088131-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 WO claimed
EP-1401839-B9 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-11-30 EP disclosed
EP-1401839-B1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA [A] NAPHTHALENE WYETH CORP (US) 2005-09-07 EP disclosed
US-6927226-B2 Antidepressant azaheterocyclymethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2005-08-09 US disclosed
EP-1401839-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA A]NAPHTHALENE Wyeth (US) 2004-03-31 EP disclosed
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH 2004-01-15 US disclosed
US-6573283-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-06-03 US disclosed
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene WYETH (US) 2002-12-05 US disclosed
WO-2002088131-A1 ANTIDEPRESSANT (SSSRI) AZAHETEROCYCLYMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-T,9-DIOXA-1,3-DIAZACYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040010006-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 HTR1A 9/4885SLC6A4 198/4885KDM4E 1904/4885
US-20020183351-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalene OPRD1, OPRK1, HSD17B11 HTR1A 9/4885SLC6A4 198/4885KDM4E 1904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.